Information card for entry 2212590

Structure parameters

• Chemical name: Dibromo{4-chloro-2-[(2-diethylaminoethylimino)methyl]phenolato}zinc(II)
• Formula: C13 H19 Br2 Cl N2 O Zn
• Calculated formula: C13 H19 Br2 Cl N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Cl)cc2)C=[N]1CC[NH+](CC)CC
• Title of publication: Dibromo{4-chloro-2-[(2-diethylaminoethylimino)methyl]phenolato}zinc(II)
• Authors of publication: Yi-Jun Wei; Feng-Wu Wang; Qi-Yong Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m654 - m655
• a: 14.921 ± 0.001 Å
• b: 8.9624 ± 0.0001 Å
• c: 13.092 ± 0.002 Å
• α: 90°
• β: 92.6 ± 0.001°
• γ: 90°
• Cell volume: 1749 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes